1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

C25H41N3O — CID 71017183

IUPAC1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)N(C(=O)c1nn(C2CCCCC2)c2c1CCCC2)[C@H](C)C1CCCCC1
InChIInChI=1S/C25H41N3O/c1-18(2)27(19(3)20-12-6-4-7-13-20)25(29)24-22-16-10-11-17-23(22)28(26-24)21-14-8-5-9-15-21/h18-21H,4-17H2,1-3H3/t19-/m1/s1
InChIKeyPTOWCAHXKNXGBG-LJQANCHMSA-N
MW399.62 g/mol
LogP6.09
Rot. Bonds5

About 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 71017183) has the molecular formula C25H41N3O and a molecular weight of 399.62 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID71017183
Molecular FormulaC25H41N3O
Molecular Weight399.62 g/mol
Exact Mass399.32
IUPAC Name1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)N(C(=O)c1nn(C2CCCCC2)c2c1CCCC2)[C@H](C)C1CCCCC1
InChIInChI=1S/C25H41N3O/c1-18(2)27(19(3)20-12-6-4-7-13-20)25(29)24-22-16-10-11-17-23(22)28(26-24)21-14-8-5-9-15-21/h18-21H,4-17H2,1-3H3/t19-/m1/s1
InChIKeyPTOWCAHXKNXGBG-LJQANCHMSA-N
XLogP6.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 71017183) is 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)N(C(=O)c1nn(C2CCCCC2)c2c1CCCC2)[C@H](C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is PTOWCAHXKNXGBG-LJQANCHMSA-N. The full InChI is InChI=1S/C25H41N3O/c1-18(2)27(19(3)20-12-6-4-7-13-20)25(29)24-22-16-10-11-17-23(22)28(26-24)21-14-8-5-9-15-21/h18-21H,4-17H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 399.62 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 71017183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).